N-[(2,5-difluorophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine

C15H17F2NO — CID 43495625

IUPACN-[(2,5-difluorophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)o1)c1cc(F)ccc1F
InChIInChI=1S/C15H17F2NO/c1-3-8-18-15(14-7-4-10(2)19-14)12-9-11(16)5-6-13(12)17/h4-7,9,15,18H,3,8H2,1-2H3
InChIKeyTUVSQAAXJPTAPT-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.96
Rot. Bonds5

About N-[(2,5-difluorophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine

N-[(2,5-difluorophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine (PubChem CID 43495625) has the molecular formula C15H17F2NO and a molecular weight of 265.30 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
PubChem CID43495625
Molecular FormulaC15H17F2NO
Molecular Weight265.30 g/mol
Exact Mass265.13
IUPAC NameN-[(2,5-difluorophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)o1)c1cc(F)ccc1F
InChIInChI=1S/C15H17F2NO/c1-3-8-18-15(14-7-4-10(2)19-14)12-9-11(16)5-6-13(12)17/h4-7,9,15,18H,3,8H2,1-2H3
InChIKeyTUVSQAAXJPTAPT-UHFFFAOYSA-N
XLogP3.96
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-methylfuran-2-yl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302974
N-[(2-chloro-4-fluoro-5-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 81044838
N-[(2-chloro-4,5-difluorophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 107476667
N-[(2-bromo-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 43495714
N-[(2,6-difluoro-3-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 82815308
N-[(5-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 114886623
N-[(2-fluoro-3-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 81477002
N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 65296874
N-[(2-chloro-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 43495680
N-[(2,5-difluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102832497
N-[(2,4-difluorophenyl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 62345873
N-[(5-bromo-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 79723126

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,5-difluorophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine (CID 43495625) is N-[(2,5-difluorophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(C)o1)c1cc(F)ccc1F.
What is the InChIKey of N-[(2,5-difluorophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine?
The InChIKey is TUVSQAAXJPTAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO/c1-3-8-18-15(14-7-4-10(2)19-14)12-9-11(16)5-6-13(12)17/h4-7,9,15,18H,3,8H2,1-2H3.
What are the key properties of N-[(2,5-difluorophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine?
N-[(2,5-difluorophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine has a molecular weight of 265.30 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 43495625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).